N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide

C14H20N4O3S — CID 94113861

IUPACN-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
SMILESCC(C)c1noc([C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H20N4O3S/c1-9(2)13-16-14(21-17-13)10(3)15-11-5-7-12(8-6-11)18-22(4,19)20/h5-10,15,18H,1-4H3/t10-/m1/s1
InChIKeyWOTWPCMOWOTQQR-SNVBAGLBSA-N
MW324.41 g/mol
LogP2.74
Rot. Bonds6

About N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide

N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide (PubChem CID 94113861) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
PubChem CID94113861
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
SMILESCC(C)c1noc([C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H20N4O3S/c1-9(2)13-16-14(21-17-13)10(3)15-11-5-7-12(8-6-11)18-22(4,19)20/h5-10,15,18H,1-4H3/t10-/m1/s1
InChIKeyWOTWPCMOWOTQQR-SNVBAGLBSA-N
XLogP2.74
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 47022427
4-(4-ethylpiperazin-1-yl)-2-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 47027549
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidin-1-ylaniline
CID 60375951
N-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 72115568
1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3-fluorophenyl)urea
CID 52257691
N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)aniline
CID 56828244
N-(4-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl}phenyl)acetamide
CID 45505632
4-(2,6-dimethylmorpholin-4-yl)-3-fluoro-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 51121999
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-difluoroaniline
CID 71852680
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-fluoro-4-pyrrolidin-1-ylaniline
CID 71889758
N-(4-cyanophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 72120460
N-(2,4-difluorophenyl)-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]acetamide
CID 75457146

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide (CID 94113861) is N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide is CC(C)c1noc([C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)n1.
What is the InChIKey of N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide?
The InChIKey is WOTWPCMOWOTQQR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-9(2)13-16-14(21-17-13)10(3)15-11-5-7-12(8-6-11)18-22(4,19)20/h5-10,15,18H,1-4H3/t10-/m1/s1.
What are the key properties of N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide?
N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 94113861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).